1-(2,3-dimethoxy-6-methylphenyl)ethanol

C11H16O3 — CID 84666952

IUPAC1-(2,3-dimethoxy-6-methylphenyl)ethanol
SMILESCOc1ccc(C)c(C(C)O)c1OC
InChIInChI=1S/C11H16O3/c1-7-5-6-9(13-3)11(14-4)10(7)8(2)12/h5-6,8,12H,1-4H3
InChIKeyZOQPDBDJFOZIIF-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.07
Rot. Bonds3

About 1-(2,3-dimethoxy-6-methylphenyl)ethanol

1-(2,3-dimethoxy-6-methylphenyl)ethanol (PubChem CID 84666952) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2,3-dimethoxy-6-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,3-dimethoxy-6-methylphenyl)ethanol
PubChem CID84666952
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-(2,3-dimethoxy-6-methylphenyl)ethanol
SMILESCOc1ccc(C)c(C(C)O)c1OC
InChIInChI=1S/C11H16O3/c1-7-5-6-9(13-3)11(14-4)10(7)8(2)12/h5-6,8,12H,1-4H3
InChIKeyZOQPDBDJFOZIIF-UHFFFAOYSA-N
XLogP2.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,6-dimethylphenyl)ethanol
CID 117278453
1-(3-bromo-2-methoxy-6-methylphenyl)ethanol
CID 84704881
3-(1-chloropropyl)-1,2-dimethoxy-4-methylbenzene
CID 89002791
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
1-(2-bromo-3,6-dimethoxyphenyl)ethanol
CID 117406483
1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol
CID 117325544
1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 117297929
ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
CID 117428823
3-iodo-1,2-dimethoxy-4-methylbenzene
CID 131118438
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
1-(2-ethyl-3,4-dimethoxyphenyl)ethanol
CID 84677809
2-(2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117300531

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxy-6-methylphenyl)ethanol?
The IUPAC name of 1-(2,3-dimethoxy-6-methylphenyl)ethanol (CID 84666952) is 1-(2,3-dimethoxy-6-methylphenyl)ethanol.
What is the SMILES notation for 1-(2,3-dimethoxy-6-methylphenyl)ethanol?
The canonical SMILES for 1-(2,3-dimethoxy-6-methylphenyl)ethanol is COc1ccc(C)c(C(C)O)c1OC.
What is the InChIKey of 1-(2,3-dimethoxy-6-methylphenyl)ethanol?
The InChIKey is ZOQPDBDJFOZIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7-5-6-9(13-3)11(14-4)10(7)8(2)12/h5-6,8,12H,1-4H3.
What are the key properties of 1-(2,3-dimethoxy-6-methylphenyl)ethanol?
1-(2,3-dimethoxy-6-methylphenyl)ethanol has a molecular weight of 196.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxy-6-methylphenyl)ethanol is sourced from PubChem (CID 84666952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).